5-(methylamino)hexane-1,2,3,4-tetrol

C7H17NO4 — CID 54006864

IUPAC5-(methylamino)hexane-1,2,3,4-tetrol
SMILESCNC(C)C(O)C(O)C(O)CO
InChIInChI=1S/C7H17NO4/c1-4(8-2)6(11)7(12)5(10)3-9/h4-12H,3H2,1-2H3
InChIKeyVPEMKNKVOUTMBY-UHFFFAOYSA-N
MW179.22 g/mol
LogP-2.33
Rot. Bonds5

About 5-(methylamino)hexane-1,2,3,4-tetrol

5-(methylamino)hexane-1,2,3,4-tetrol (PubChem CID 54006864) has the molecular formula C7H17NO4 and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(methylamino)hexane-1,2,3,4-tetrol.

Molecular Properties

Compound Name5-(methylamino)hexane-1,2,3,4-tetrol
PubChem CID54006864
Molecular FormulaC7H17NO4
Molecular Weight179.22 g/mol
Exact Mass179.12
IUPAC Name5-(methylamino)hexane-1,2,3,4-tetrol
SMILESCNC(C)C(O)C(O)C(O)CO
InChIInChI=1S/C7H17NO4/c1-4(8-2)6(11)7(12)5(10)3-9/h4-12H,3H2,1-2H3
InChIKeyVPEMKNKVOUTMBY-UHFFFAOYSA-N
XLogP-2.33
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-2.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)hexane-1,2,3,4-tetrol?
The IUPAC name of 5-(methylamino)hexane-1,2,3,4-tetrol (CID 54006864) is 5-(methylamino)hexane-1,2,3,4-tetrol.
What is the SMILES notation for 5-(methylamino)hexane-1,2,3,4-tetrol?
The canonical SMILES for 5-(methylamino)hexane-1,2,3,4-tetrol is CNC(C)C(O)C(O)C(O)CO.
What is the InChIKey of 5-(methylamino)hexane-1,2,3,4-tetrol?
The InChIKey is VPEMKNKVOUTMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO4/c1-4(8-2)6(11)7(12)5(10)3-9/h4-12H,3H2,1-2H3.
What are the key properties of 5-(methylamino)hexane-1,2,3,4-tetrol?
5-(methylamino)hexane-1,2,3,4-tetrol has a molecular weight of 179.22 g/mol, XLogP of -2.33, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)hexane-1,2,3,4-tetrol is sourced from PubChem (CID 54006864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).